disodium 3-ethyl-6-methyl-4,5-bis(oxidanyl)naphthalene-2,7-disulfonate

Systemtic Name: disodium 3-ethyl-6-methyl-4,5-bis(oxidanyl)naphthalene-2,7-disulfonate Openeye Name: disodium 3-ethyl-4,5-dihydroxy-6-methyl-naphthalene-2,7-disulfonate CAS Name: disodium 3-ethyl-4,5-dihydroxy-6-methylnaphthalene-2,7-disulfonate IUPAC Name: disodium 3-ethyl-4,5-dihydroxy-6-methylnaphthalene-2,7-disulfonate Traditional Name: disodium 3-ethyl-4,5-dihydroxy-6-methyl-naphthalene-2,7-disulfonate Formula: C13H12Na2O8S2 MolecularWeight: 406.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C)O)O.[Na+].[Na+]

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2C=C1S(=O)(=O)[O-])S(=O)(=O)[O-])C)O)O.[Na+].[Na+]

InChI

InChI=1S/C13H14O8S2.2Na/c1-3-8-10(23(19,20)21)5-7-4-9(22(16,17)18)6(2)12(14)11(7)13(8)15;;/h4-5,14-15H,3H2,1-2H3,(H,16,17,18)(H,19,20,21);;/q;2*+1/p-2